1.0 2010-04-08 22:08:16 UTC 2019-11-26 03:03:15 UTC FDB008807 Glacin B Constituent of the leaves of Annona glabra (pond apple). Glacin B is found in alcoholic beverages and fruits. C35H64O7 596.8785 596.465204402 (5S)-5-methyl-3-[(2R,10R)-2,10,13-trihydroxy-13-{5-[(1S)-1-hydroxytridecyl]oxolan-2-yl}tridecyl]-2,5-dihydrofuran-2-one (5S)-5-methyl-3-[(2R,10R)-2,10,13-trihydroxy-13-{5-[(1S)-1-hydroxytridecyl]oxolan-2-yl}tridecyl]-5H-furan-2-one CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCC(O)CCCCCCCC(O)CC1=CC(C)OC1=O InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-14-17-20-31(38)33-23-24-34(42-33)32(39)22-21-29(36)18-15-12-11-13-16-19-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3 DRFBUADSYRWIKE-UHFFFAOYSA-N belongs to the class of organic compounds known as annonaceous acetogenins. These are waxy derivatives of fatty acids (usually C32 or C34), containing a terminal carboxylic acid combined with a 2-propanol unit at the C-2 position to form a methyl- substituted alpha,beta-unsaturated-gamma-lactone. One of their interesting structural features is a single, adjacent, or nonadjacent tetrahydrofuran (THF) or tetrahydropyran (THP) system with one or two flanking hydroxyl group(s) at the center of a long hydrocarbon chain. Annonaceous acetogenins Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohols logp 7.71 ChemAxon pka_strongest_acidic 13.31 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac (5S)-5-methyl-3-[(2R,10R)-2,10,13-trihydroxy-13-{5-[(1S)-1-hydroxytridecyl]oxolan-2-yl}tridecyl]-2,5-dihydrofuran-2-one ChemAxon average_mass 596.8785 ChemAxon mono_mass 596.465204402 ChemAxon smiles CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCC(O)CCCCCCCC(O)CC1=CC(C)OC1=O ChemAxon formula C35H64O7 ChemAxon inchi InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-14-17-20-31(38)33-23-24-34(42-33)32(39)22-21-29(36)18-15-12-11-13-16-19-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3 ChemAxon inchikey DRFBUADSYRWIKE-UHFFFAOYSA-N ChemAxon polar_surface_area 116.45 ChemAxon refractivity 169.34 ChemAxon polarizability 74.86 ChemAxon rotatable_bond_count 26 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Alcoholic beverages Unknown generic Fruits Unknown generic